1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine

C13H19Cl2N — CID 63413278

IUPAC1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2N/c1-4-16-12(8-9(2)3)10-6-5-7-11(14)13(10)15/h5-7,9,12,16H,4,8H2,1-3H3
InChIKeyYSPZDKQDXIDFDD-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.69
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine

1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 63413278) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
PubChem CID63413278
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2N/c1-4-16-12(8-9(2)3)10-6-5-7-11(14)13(10)15/h5-7,9,12,16H,4,8H2,1-3H3
InChIKeyYSPZDKQDXIDFDD-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
[1-(2,3-dichlorophenyl)-3-methylbutyl]hydrazine
CID 105198986
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 55115861
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115850050
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63416853
N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine (CID 63413278) is 1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine is CCNC(CC(C)C)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is YSPZDKQDXIDFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-4-16-12(8-9(2)3)10-6-5-7-11(14)13(10)15/h5-7,9,12,16H,4,8H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine?
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 63413278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).